5-(Hydroxymethyl)furan-2-carbonitrile
TL;DR: 5-(Hydroxymethyl)furan-2-carbonitrile (CAS 89149-70-2) is a chemical compound with molecular formula C6H5NO2 and molecular weight 123.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(hydroxymethyl)furan-2-carbonitrile
Also Known As: 5-(Hydroxymethyl)furan-2-carbonitrile, EINECS 289-476-0, 5-Hydroxymethyl-2-cyanofuran, 5-hydroxymethyl-2-furancarbonitrile, 2-Furancarbonitrile,5-(hydroxymethyl)-
| Molecular Formula | C6H5NO2 |
|---|---|
| Molecular Weight | 123.03 g/mol |
| LogP | 0.64358 |
| Topological Polar Surface Area | 57.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.03203 |
| Heavy Atoms | 9 |
| Complexity | 233.45105 |
Chemical Identifiers
| CAS Number | 89149-70-2 |
|---|---|
| SMILES | C1=C(OC(=C1)C#N)CO |
Product Overview
5-(Hydroxymethyl)furan-2-carbonitrile (CAS 89149-70-2), with molecular formula C6H5NO2 and molecular weight 123.03 g/mol. IUPAC: 5-(hydroxymethyl)furan-2-carbonitrile.
Chemical Property Profile of 5-(Hydroxymethyl)furan-2-carbonitrile
Property Insights of 5-(Hydroxymethyl)furan-2-carbonitrile
The XLogP value of 0.64358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Hydroxymethyl)furan-2-carbonitrile. With a topological polar surface area (TPSA) of 57.16 Ų, 5-(Hydroxymethyl)furan-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Hydroxymethyl)furan-2-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Hydroxymethyl)furan-2-carbonitrile?
The CAS number of 5-(Hydroxymethyl)furan-2-carbonitrile is 89149-70-2.
What is the molecular formula of 5-(Hydroxymethyl)furan-2-carbonitrile?
The molecular formula of 5-(Hydroxymethyl)furan-2-carbonitrile is C6H5NO2.
What is the molecular weight of 5-(Hydroxymethyl)furan-2-carbonitrile?
The molecular weight of 5-(Hydroxymethyl)furan-2-carbonitrile is 123.03 g/mol.
Where can I buy 5-(Hydroxymethyl)furan-2-carbonitrile?
You can request a quote for 5-(Hydroxymethyl)furan-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Hydroxymethyl)furan-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Hydroxymethyl)furan-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.